4-methoxy-N-methylbut-1-en-2-amine

C6H13NO — CID 145463634

IUPAC4-methoxy-N-methylbut-1-en-2-amine
SMILESC=C(CCOC)NC
InChIInChI=1S/C6H13NO/c1-6(7-2)4-5-8-3/h7H,1,4-5H2,2-3H3
InChIKeyLKKSMEPYNKXLFC-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.76
Rot. Bonds4

About 4-methoxy-N-methylbut-1-en-2-amine

4-methoxy-N-methylbut-1-en-2-amine (PubChem CID 145463634) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-methoxy-N-methylbut-1-en-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methylbut-1-en-2-amine
PubChem CID145463634
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4-methoxy-N-methylbut-1-en-2-amine
SMILESC=C(CCOC)NC
InChIInChI=1S/C6H13NO/c1-6(7-2)4-5-8-3/h7H,1,4-5H2,2-3H3
InChIKeyLKKSMEPYNKXLFC-UHFFFAOYSA-N
XLogP0.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyl-2,3-dihydro-1,3-oxazole
CID 21274303
4-methoxy-N,N-dimethylbut-1-en-2-amine
CID 88583232
N-(propoxymethyl)but-1-en-2-amine
CID 89086618
N-(3-methoxypropyl)but-1-en-2-amine
CID 90245952
3-methoxy-N-prop-1-en-2-ylpropan-1-amine
CID 90249176
4-(methoxymethoxy)-N-methylbut-1-en-2-amine
CID 118494860
ethane;(Z)-1-methoxy-N-methylbut-1-en-2-amine
CID 144518306
3-(Methylamino)but-3-en-1-ol
CID 147826906
N-methyl-2,3-dihydrofuran-4-amine
CID 151931451
CID 154676694
CID 154676694
ethane;4-propoxy-N-propylbut-1-en-2-amine
CID 156737122
4-methoxy-N-propan-2-ylbut-1-en-2-amine
CID 159001553

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methylbut-1-en-2-amine?
The IUPAC name of 4-methoxy-N-methylbut-1-en-2-amine (CID 145463634) is 4-methoxy-N-methylbut-1-en-2-amine.
What is the SMILES notation for 4-methoxy-N-methylbut-1-en-2-amine?
The canonical SMILES for 4-methoxy-N-methylbut-1-en-2-amine is C=C(CCOC)NC.
What is the InChIKey of 4-methoxy-N-methylbut-1-en-2-amine?
The InChIKey is LKKSMEPYNKXLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(7-2)4-5-8-3/h7H,1,4-5H2,2-3H3.
What are the key properties of 4-methoxy-N-methylbut-1-en-2-amine?
4-methoxy-N-methylbut-1-en-2-amine has a molecular weight of 115.18 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methylbut-1-en-2-amine is sourced from PubChem (CID 145463634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).